1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine

C18H18Cl2N6 — CID 120910576

IUPAC1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
SMILESClc1ccc(-n2cc(CN3CCNCC3c3ccncc3)nn2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N6/c19-14-1-2-17(16(20)9-14)26-12-15(23-24-26)11-25-8-7-22-10-18(25)13-3-5-21-6-4-13/h1-6,9,12,18,22H,7-8,10-11H2
InChIKeyUBJGALRELNUBDO-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.12
Rot. Bonds4

About 1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine

1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine (PubChem CID 120910576) has the molecular formula C18H18Cl2N6 and a molecular weight of 389.29 g/mol. Its IUPAC name is 1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
PubChem CID120910576
Molecular FormulaC18H18Cl2N6
Molecular Weight389.29 g/mol
Exact Mass388.10
IUPAC Name1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
SMILESClc1ccc(-n2cc(CN3CCNCC3c3ccncc3)nn2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N6/c19-14-1-2-17(16(20)9-14)26-12-15(23-24-26)11-25-8-7-22-10-18(25)13-3-5-21-6-4-13/h1-6,9,12,18,22H,7-8,10-11H2
InChIKeyUBJGALRELNUBDO-UHFFFAOYSA-N
XLogP3.12
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(2-chloro-4-fluorophenyl)triazol-4-yl]methyl]-2-pyridin-3-ylpiperazine
CID 120768024
1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine
CID 120968202
1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120909906
1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910755
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910405
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
2-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908373
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910056
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
CID 120910371

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine (CID 120910576) is 1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine is Clc1ccc(-n2cc(CN3CCNCC3c3ccncc3)nn2)c(Cl)c1.
What is the InChIKey of 1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine?
The InChIKey is UBJGALRELNUBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6/c19-14-1-2-17(16(20)9-14)26-12-15(23-24-26)11-25-8-7-22-10-18(25)13-3-5-21-6-4-13/h1-6,9,12,18,22H,7-8,10-11H2.
What are the key properties of 1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine?
1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine has a molecular weight of 389.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120910576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).